(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone

C15H22N2O3 — CID 116587893

IUPAC(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cncc(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-17-14-10-19-9-13(14)15(18)11-6-12(20-4-2)8-16-7-11/h6-8,13-14,17H,3-5,9-10H2,1-2H3
InChIKeyVHJCADSQXHYMPJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds7

About (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone

(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587893) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587893
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cncc(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-17-14-10-19-9-13(14)15(18)11-6-12(20-4-2)8-16-7-11/h6-8,13-14,17H,3-5,9-10H2,1-2H3
InChIKeyVHJCADSQXHYMPJ-UHFFFAOYSA-N
XLogP1.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587893) is (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1cncc(OCC)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is VHJCADSQXHYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-17-14-10-19-9-13(14)15(18)11-6-12(20-4-2)8-16-7-11/h6-8,13-14,17H,3-5,9-10H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone?
(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).